[2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]-phenyl-methanone

Systemtic Name: [2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]-phenyl-methanone Openeye Name: phenyl-[2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]methanone CAS Name: [2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-phenylmethanone Traditional Name: phenyl-[2-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]methanone Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4S/c1-20-12-14-22(15-13-20)33(31,32)28-17-7-16-27(18-19-28)26(30)24-11-6-5-10-23(24)25(29)21-8-3-2-4-9-21/h2-6,8-15H,7,16-19H2,1H3